SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'MD1'


List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICT_D_T44D129_2
(TRANSTHYRETIN)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 LEU A 606
THR A 857
LEU A 635
THR A 637
 None
MD1  A1987 ( 4.1A)
None
MD1  A1987 (-3.5A)
 0.85A 1ictD-2ivfA:
undetectable		 1ictD-2ivfA:
8.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RK3_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		5 / 12 LEU A 716
SER A 714
SER A 607
HIS A1184
HIS A1163
 None
MD1  A1245 (-3.9A)
None
MD1  A1245 ( 4.6A)
MD1  A1245 (-3.4A)
 1.44A 1rk3A-3egwA:
undetectable		 1rk3A-3egwA:
12.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RK3_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		 5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT
(Azospira
oryzae) 		5 / 12 LEU A  33
VAL A 142
SER A 143
SER A 581
HIS A 770
 MD1  A1004 (-4.6A)
None
None
MD1  A1004 (-3.4A)
MD1  A1004 ( 3.5A)
 1.29A 1rk3A-5chcA:
undetectable		 1rk3A-5chcA:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S3Z_B_RIOB501_0
(AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		4 / 8 TYR A 217
VAL A 237
HIS A 546
ASP A 801
 None
None
MD1  A1245 (-4.0A)
None
 1.18A 1s3zA-3egwA:
undetectable
1s3zB-3egwA:
undetectable		 1s3zA-3egwA:
8.52
1s3zB-3egwA:
8.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BR4_F_SAMF301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
(Escherichia
coli;
Escherichia
coli) 		5 / 12 GLU A1166
TYR A1101
SER A1099
ASP B 105
ALA A 105
 None
None
MD1  A1245 (-2.7A)
None
None
 1.13A 2br4F-3egwA:
3.8		 2br4F-3egwA:
11.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F78_A_BEZA1003_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		4 / 7 ARG A 638
PHE B 103
HIS B  99
THR A 860
 MD1  A1987 (-3.7A)
None
None
None
 1.14A 2f78A-2ivfA:
undetectable		 2f78A-2ivfA:
13.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HDN_B_TACB1888_1
(ELONGATION FACTOR
EF-TU)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		4 / 5 THR A 788
SER A 198
ASP A 822
SER A 195
 MD1  A1245 (-3.5A)
MD1  A1245 ( 4.4A)
MD1  A1245 (-2.8A)
MD1  A1245 ( 4.5A)
 1.18A 2hdnA-3egwA:
undetectable
2hdnB-3egwA:
2.2
2hdnD-3egwA:
2.2		 2hdnA-3egwA:
5.14
2hdnB-3egwA:
14.04
2hdnD-3egwA:
14.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HDN_D_TACD2888_1
(ELONGATION FACTOR
EF-TU)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		4 / 5 SER A 195
THR A 788
SER A 198
ASP A 822
 MD1  A1245 ( 4.5A)
MD1  A1245 (-3.5A)
MD1  A1245 ( 4.4A)
MD1  A1245 (-2.8A)
 1.19A 2hdnB-3egwA:
2.2
2hdnC-3egwA:
undetectable
2hdnD-3egwA:
2.2		 2hdnB-3egwA:
14.04
2hdnC-3egwA:
5.14
2hdnD-3egwA:
14.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HDN_J_TACJ5888_1
(ELONGATION FACTOR
EF-TU)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		4 / 6 THR A 788
SER A 198
ASP A 822
SER A 195
 MD1  A1245 (-3.5A)
MD1  A1245 ( 4.4A)
MD1  A1245 (-2.8A)
MD1  A1245 ( 4.5A)
 1.18A 2hdnI-3egwA:
undetectable
2hdnJ-3egwA:
2.2
2hdnL-3egwA:
undetectable		 2hdnI-3egwA:
5.14
2hdnJ-3egwA:
14.04
2hdnL-3egwA:
14.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HDN_L_TACL6888_1
(ELONGATION FACTOR
EF-TU)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		4 / 6 SER A 195
THR A 788
SER A 198
ASP A 822
 MD1  A1245 ( 4.5A)
MD1  A1245 (-3.5A)
MD1  A1245 ( 4.4A)
MD1  A1245 (-2.8A)
 1.18A 2hdnJ-3egwA:
undetectable
2hdnK-3egwA:
undetectable
2hdnL-3egwA:
undetectable		 2hdnJ-3egwA:
14.04
2hdnK-3egwA:
5.14
2hdnL-3egwA:
14.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OXT_A_SAMA300_1
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT
(Azospira
oryzae) 		3 / 3 SER A 146
HIS A  32
ASP A  82
 MD1  A1004 ( 4.7A)
SF4  A1001 (-3.3A)
NA  A1015 ( 4.9A)
 0.81A 2oxtA-5chcA:
undetectable		 2oxtA-5chcA:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RCT_A_RTLA140_1
(RETINOL-BINDING
PROTEIN II, CELLULAR)		 5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT
(Azospira
oryzae) 		3 / 3 GLN A 460
THR A 772
TRP A 584
 None
MD1  A1004 (-3.8A)
MD1  A1004 (-4.2A)
 1.12A 2rctA-5chcA:
undetectable		 2rctA-5chcA:
10.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WA2_B_SAMB1267_1
(NON-STRUCTURAL
PROTEIN 5)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
(Escherichia
coli;
Escherichia
coli) 		3 / 3 SER B 120
HIS B 112
ASP A 772
 None
None
MD1  A1245 (-2.7A)
 0.73A 2wa2B-3egwB:
undetectable		 2wa2B-3egwB:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG4_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		3 / 3 HIS A1098
HIS A1092
HIS A1163
 MD1  A1245 ( 3.5A)
MGD  A1246 ( 3.7A)
MD1  A1245 (-3.4A)
 0.74A 3ag4A-3egwA:
undetectable		 3ag4A-3egwA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG4_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		3 / 3 HIS A1098
HIS A1092
HIS A1163
 MD1  A1245 ( 3.5A)
MGD  A1246 ( 3.7A)
MD1  A1245 (-3.4A)
 0.75A 3ag4N-3egwA:
undetectable		 3ag4N-3egwA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HAV_C_SRYC403_1
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		5 / 12 ASN A 545
ASP A 222
ASN A  52
SER A 719
ASN A1217
 None
6MO  A1247 (-2.1A)
MGD  A1246 ( 3.6A)
MD1  A1245 (-3.0A)
MD1  A1245 (-3.0A)
 1.27A 3havC-3egwA:
1.2		 3havC-3egwA:
12.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NJZ_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 HIS A 194
HIS A 855
HIS A 849
ASP A 223
ILE A 217
 MD1  A1987 (-3.9A)
MGD  A1986 ( 3.6A)
MGD  A1986 (-3.6A)
MO  A1985 ( 2.5A)
None
 1.31A 3njzA-2ivfA:
0.0		 3njzA-2ivfA:
16.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NJZ_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		5 / 12 HIS A1163
HIS A1098
HIS A1092
HIS A 546
ILE A 191
 MD1  A1245 (-3.4A)
MD1  A1245 ( 3.5A)
MGD  A1246 ( 3.7A)
MD1  A1245 (-4.0A)
None
 1.30A 3njzA-3egwA:
undetectable		 3njzA-3egwA:
15.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OHT_A_1N1A2000_1
(P38A)		 5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT
(Azospira
oryzae) 		5 / 12 ASP A 123
ILE A 125
VAL A 562
ILE A 564
ILE A 157
 None
None
None
MD1  A1004 (-4.4A)
None
 1.08A 3ohtA-5chcA:
undetectable
3ohtB-5chcA:
undetectable		 3ohtA-5chcA:
16.96
3ohtB-5chcA:
16.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VT7_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		5 / 12 LEU A 716
SER A 714
SER A 607
HIS A1184
HIS A1163
 None
MD1  A1245 (-3.9A)
None
MD1  A1245 ( 4.6A)
MD1  A1245 (-3.4A)
 1.40A 3vt7A-3egwA:
undetectable		 3vt7A-3egwA:
12.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A9J_A_TYLA1188_1
(BROMODOMAIN
CONTAINING 2)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		4 / 5 VAL A 769
LEU A 786
LEU A 771
ILE A 829
 None
None
MD1  A1245 (-4.2A)
None
 0.90A 4a9jA-3egwA:
undetectable		 4a9jA-3egwA:
7.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4B3Q_A_NVPA999_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		4 / 7 LEU A 716
LYS A 722
TYR A 610
LEU A 731
 None
MD1  A1245 (-3.2A)
None
None
 1.09A 4b3qA-3egwA:
undetectable		 4b3qA-3egwA:
18.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J7U_D_YTZD802_1
(SEPIAPTERIN
REDUCTASE)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		4 / 8 SER A 215
LEU A 214
PHE A 611
PRO A 190
 None
None
None
MD1  A1245 (-4.5A)
 1.11A 4j7uD-3egwA:
2.5		 4j7uD-3egwA:
12.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
(Escherichia
coli) 		5 / 12 ALA B 114
ILE A1183
HIS A1184
TYR A 781
GLY A 721
 None
None
MD1  A1245 ( 4.6A)
None
None
 1.31A 4l9qA-3egwB:
undetectable		 4l9qA-3egwB:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIL_H_QI9H1223_0
(FAB 314.1)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		5 / 12 HIS A1184
ALA A1164
SER A1099
GLY A1182
GLY A 723
 MD1  A1245 ( 4.6A)
None
MD1  A1245 (-2.7A)
None
None
 1.24A 4uilH-3egwA:
undetectable
4uilL-3egwA:
undetectable		 4uilH-3egwA:
11.18
4uilL-3egwA:
10.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 HIS A 849
ARG A 613
ARG A 615
HIS A 192
 MGD  A1986 (-3.6A)
MD1  A1987 (-3.9A)
MD1  A1987 (-3.1A)
ACT  A1978 ( 3.9A)
 1.15A 5db5A-2ivfA:
undetectable
5db5B-2ivfA:
undetectable		 5db5A-2ivfA:
16.93
5db5B-2ivfA:
16.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLW_A_5D5A905_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 LEU A 606
SER A 607
PHE A 956
ARG A 613
VAL A 193
 None
MD1  A1987 (-4.5A)
None
MD1  A1987 (-3.9A)
None
 1.46A 5dlwA-2ivfA:
0.0		 5dlwA-2ivfA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E2I_A_DMEA605_1
(ACETYLCHOLINESTERASE)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
(Escherichia
coli) 		4 / 6 TYR B 108
ASP A1103
PHE A 773
TYR A 101
 None
None
MD1  A1245 (-3.8A)
None
 1.03A 5e2iA-3egwB:
undetectable		 5e2iA-3egwB:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		5 / 12 PRO A 190
SER A1099
HIS A1092
ASP A 222
GLY A 579
 MD1  A1245 (-4.5A)
MD1  A1245 (-2.7A)
MGD  A1246 ( 3.7A)
6MO  A1247 (-2.1A)
MGD  A1246 (-3.5A)
 1.32A 5eenA-3egwA:
3.5		 5eenA-3egwA:
15.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KPC_A_SAMA401_1
(PAVINE
N-METHYLTRANSFERASE)		 5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT
(Azospira
oryzae) 		4 / 5 PHE A 773
SER A 768
ASN A 565
ASP A 563
 None
MGD  A1003 (-4.6A)
MD1  A1004 (-2.9A)
None
 1.37A 5kpcA-5chcA:
undetectable		 5kpcA-5chcA:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L4E_D_EDPD402_1
(PROTON-GATED ION
CHANNEL)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		4 / 8 SER A1099
THR A 770
THR A 778
SER A 776
 MD1  A1245 (-2.7A)
None
None
MD1  A1245 ( 4.0A)
 0.98A 5l4eA-3egwA:
undetectable
5l4eB-3egwA:
undetectable
5l4eC-3egwA:
undetectable
5l4eD-3egwA:
undetectable
5l4eE-3egwA:
undetectable		 5l4eA-3egwA:
14.24
5l4eB-3egwA:
14.24
5l4eC-3egwA:
14.24
5l4eD-3egwA:
14.24
5l4eE-3egwA:
14.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TRQ_B_ACTB307_0
(WELO5)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		3 / 3 GLU A1220
HIS A1184
VAL A1187
 None
MD1  A1245 ( 4.6A)
None
 0.86A 5trqB-3egwA:
undetectable		 5trqB-3egwA:
13.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TZO_B_7V7B201_2
(ENDO-1,4-BETA-XYLANA
SE A)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 ARG A 142
PRO A 680
TYR A 655
 None
None
MD1  A1987 (-4.5A)
 0.97A 5tzoB-2ivfA:
undetectable		 5tzoB-2ivfA:
12.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUN_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT
(Azospira
oryzae) 		4 / 8 SER A 832
ARG A 830
GLN A 881
PHE A 760
 MGD  A1003 ( 4.9A)
MGD  A1003 (-3.1A)
MD1  A1004 (-3.1A)
None
 1.35A 5vunB-5chcA:
undetectable		 5vunB-5chcA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WAU_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		3 / 3 HIS A1098
HIS A1092
HIS A1163
 MD1  A1245 ( 3.5A)
MGD  A1246 ( 3.7A)
MD1  A1245 (-3.4A)
 0.74A 5waua-3egwA:
undetectable		 5waua-3egwA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1B_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
(Escherichia
coli;
Escherichia
coli) 		4 / 7 THR A 778
TYR A 781
HIS A1163
LEU B 111
 None
None
MD1  A1245 (-3.4A)
None
 1.20A 5x1bA-3egwA:
undetectable
5x1bC-3egwA:
undetectable
5x1bP-3egwA:
undetectable		 5x1bA-3egwA:
16.88
5x1bC-3egwA:
11.25
5x1bP-3egwA:
11.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y7P_G_CHDG401_0
(BILE SALT HYDROLASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 10 LEU A 605
TYR A 603
ASN A 609
LEU A 625
GLU A 636
 None
None
MD1  A1987 (-3.7A)
None
MD1  A1987 (-2.9A)
 1.17A 5y7pG-2ivfA:
undetectable		 5y7pG-2ivfA:
16.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z85_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT
(Azospira
oryzae) 		4 / 7 LEU A 215
HIS A 764
ASP A 211
HIS A 426
 None
MGD  A1003 ( 3.5A)
None
MD1  A1004 (-4.4A)
 1.24A 5z85C-5chcA:
undetectable
5z85N-5chcA:
undetectable
5z85P-5chcA:
undetectable		 5z85C-5chcA:
14.30
5z85N-5chcA:
19.08
5z85P-5chcA:
14.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B58_A_ACTA609_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 HIS A 192
HIS A 855
ARG A 612
 ACT  A1978 ( 3.9A)
MGD  A1986 ( 3.6A)
MD1  A1987 (-2.8A)
 1.03A 6b58A-2ivfA:
undetectable		 6b58A-2ivfA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EFN_A_SAMA501_0
(SPORULATION KILLING
FACTOR MATURATION
PROTEIN SKFB)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
(Escherichia
coli;
Escherichia
coli) 		5 / 11 SER A1099
ARG A 774
ALA A1164
LEU A1171
ALA B 124
 MD1  A1245 (-2.7A)
MD1  A1245 (-3.8A)
None
None
None
 1.14A 6efnA-3egwA:
undetectable		 6efnA-3egwA:
15.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GIQ_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		3 / 3 HIS A1098
HIS A1092
HIS A1163
 MD1  A1245 ( 3.5A)
MGD  A1246 ( 3.7A)
MD1  A1245 (-3.4A)
 0.62A 6giqa-3egwA:
undetectable		 6giqa-3egwA:
17.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GIQ_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT
(Azospira
oryzae) 		3 / 3 HIS A 770
HIS A 764
HIS A 835
 MD1  A1004 ( 3.5A)
MGD  A1003 ( 3.5A)
MD1  A1004 ( 4.4A)
 0.77A 6giqa-5chcA:
undetectable		 6giqa-5chcA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HU9_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		3 / 3 HIS A1098
HIS A1092
HIS A1163
 MD1  A1245 ( 3.5A)
MGD  A1246 ( 3.7A)
MD1  A1245 (-3.4A)
 0.74A 6hu9a-3egwA:
undetectable		 6hu9a-3egwA:
17.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HU9_N_PCFN606_0
(CYTOCHROME B)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		5 / 12 MET A 194
ALA A 193
THR A 587
VAL A 578
TYR A 220
 None
None
None
MGD  A1246 (-3.9A)
MD1  A1245 (-3.5A)
 1.43A 6hu9N-3egwA:
undetectable		 6hu9N-3egwA:
14.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMF_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
(Escherichia
coli;
Escherichia
coli) 		4 / 7 THR A 778
TYR A 781
HIS A1163
LEU B 111
 None
None
MD1  A1245 (-3.4A)
None
 1.19A 6nmfA-3egwA:
undetectable
6nmfC-3egwA:
undetectable
6nmfP-3egwA:
undetectable		 6nmfA-3egwA:
16.88
6nmfC-3egwA:
11.25
6nmfP-3egwA:
11.25